SCHEMBL5790250

SCHEMBL5790250

[CH2]c1ccc2c(CC)n[nH]c2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FGFR1 P11362 2/20 0.34
PDPK1 O15530 3/20 0.33
JAK2 O60674 3/20 0.33
GRM4 Q14833 6/20 0.33
GSK3B P49841 3/20 0.33
JAK1 P23458 2/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
AURKA O14965 1/20 0.32
TGFBR1 P36897 1/20 0.32
ROCK1 Q13464 1/20 0.32
AURKB Q96GD4 1/20 0.32
HSP90AB1 P08238 1/20 0.32
AXL P30530 2/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7352623 0.86 TTK (0.35) PDPK1JAK2GRM4GSK3BTYK2
SCHEMBL130781 0.80 ITK (0.47) PDE3BPDE3A
SCHEMBL10189221 0.80 KIF11 (0.47) PDE3BPDE3AFGFR1GRM4GSK3B
SCHEMBL11388 0.79 PDPK1 (0.58) PDE3BPDE3APDPK1JAK2GSK3B
SCHEMBL176792 0.79 PDPK1 (0.54) FGFR1PDPK1JAK2GSK3BJAK1
SCHEMBL16095565 0.79 AXL (0.50) PDE3BPDE3AFGFR1PDPK1JAK2
SCHEMBL5677771 0.79 MAP2K4 (0.51) GSK3B
SCHEMBL10271450 0.79 GSK3B (0.51) GSK3B
SCHEMBL5677761 0.77 GSK3B (0.44) PDE3BPDE3AFGFR1PDPK1JAK2
Hydrochloric Acid SCHEMBL177126 0.77 PDPK1 (0.53) FGFR1PDPK1JAK2GSK3BJAK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631568-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2006-03-08 EP disclosed
WO-2004094411-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-11-04 WO disclosed